9-Bromo-8-hydroxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile

HCID 54578769

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Grundinformationen

CAS: 1256579-06-2
Standard-SMILES: CC1(C)c2cc(O)c(Br)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIKey: FTLQDYMGJVZZLI-UHFFFAOYSA-N
Summenformel: C19H13BrN2O2
Durchschnittliche Molmasse: 381,2 g/mol
Monoisotopische Masse: 380,01603976

Namen und Bezeichner

Bevorzugter Name: 9-Bromo-8-hydroxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
IUPAC: 9-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Englischer Name: 9-broMo-8-hydroxy-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
Summenformel: C19H13BrN2O2
Molmasse: 381.22

Namen und Synonyme

1256579-06-29-Bromo-8-hydroxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrileMFCD280983149-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile9-Bromo-6,11-dihydro-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile9-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H,6H,11H-benzo[b]carbazole-3-carbonitrileSCHEMBL897343SCHEMBL29895705FTLQDYMGJVZZLI-UHFFFAOYSA-NDTXSID801126479GAC57906AC3411

Weitere Namen anzeigen

Aletinib Impurity 49-broMo-8-hydroxy-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[...5H-Benzo[b]carbazole-3-carbonitrile, 9-bromo-6,11-dihydro-8-hydroxy-6,6-dimethyl-11-oxo-9-BROMO-8-HYDROXY-6,6-DIMETHYL-11-OXO -6,11-DIHYDRO-5H-BENZO[B]CARBAZOLE-3-CARBONITRILE _1256579-06-2

AC-30680SY060670DB-170583F830662

Datenbank-Bezeichner

CAS: 1256579-06-2
PubChem CID: 54578769
DTXSID: DTXSID801126479

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 76,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 24
Formalladung: 0
Komplexität: 597

Physikochemische Eigenschaften

InChI: InChI=1S/C19H13BrN2O2/c1-19(2)12-7-15(23)13(20)6-11(12)17(24)16-10-4-3-9(8-21)5-14(10)22-18(16)19/h3-7,22-23H,1-2H3
InChIKey: FTLQDYMGJVZZLI-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(C#N)=C2)C2=C1C(C)(C)C1=CC(O)=C(Br)C=C1C2=O